2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine

C15H16BrNO — CID 169250451

IUPAC2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
SMILESCc1nc(Br)c(C)c(OCc2ccccc2)c1C
InChIInChI=1S/C15H16BrNO/c1-10-12(3)17-15(16)11(2)14(10)18-9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3
InChIKeyCMXFASXRYVKTSV-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.35
Rot. Bonds3

About 2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine

2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine (PubChem CID 169250451) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine.

Molecular Properties

Compound Name2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
PubChem CID169250451
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
SMILESCc1nc(Br)c(C)c(OCc2ccccc2)c1C
InChIInChI=1S/C15H16BrNO/c1-10-12(3)17-15(16)11(2)14(10)18-9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3
InChIKeyCMXFASXRYVKTSV-UHFFFAOYSA-N
XLogP4.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine
CID 163701296
2-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine
CID 122543842
methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
CID 91008132
5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
CID 52987753
phenyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
CID 88567035
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
ethane;ethyl 2-chloro-5,6-dimethyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250389
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
CID 86653777
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine?
The IUPAC name of 2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine (CID 169250451) is 2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine.
What is the SMILES notation for 2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine?
The canonical SMILES for 2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine is Cc1nc(Br)c(C)c(OCc2ccccc2)c1C.
What is the InChIKey of 2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine?
The InChIKey is CMXFASXRYVKTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-12(3)17-15(16)11(2)14(10)18-9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3.
What are the key properties of 2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine?
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine has a molecular weight of 306.20 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine is sourced from PubChem (CID 169250451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).